chempirical

1-Ethoxy-2,3-difluoro-4-(trans-4-propylcyclohexyl)benzene

C17H24F2OCAS 174350-05-1282.37 g/mol

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Properties

Molecular formula
C17H24F2O
Molar mass
282.37 g/mol
Exact mass
282.1795 Da
logP
5.44Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5
Stereocentres
r, sin SMILES atom order

Identifiers

CAS number
174350-05-1
SMILES
CCC[C@H]1CC[C@H](c2ccc(OCC)c(F)c2F)CC1
InChIKey
BOAHGIPRRKDVQY-JOCQHMNTNA-N
InChI
InChI=1/C17H24F2O/c1-3-5-12-6-8-13(9-7-12)14-10-11-15(20-4-2)17(19)16(14)18/h10-13H,3-9H2,1-2H3/t12-,13-

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Names and synonyms

9 names
  • Benzene, 1-ethoxy-2,3-difluoro-4-(trans-4-propylcyclohexyl)-
  • Benzene, 1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)-, trans-
  • PCH 302FF
  • 3-HB(2F,3F)-O2
  • CY 3O2
  • 3-Cy-ph5-O2
  • CPFF3O2
  • 3CWO2
  • 3CYO2

Work with 1-Ethoxy-2,3-difluoro-4-(trans-4-propylcyclohexyl)benzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Ethoxy-2,3-difluoro-4-[(trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]benzene123560-48-592 % similar 1-Butoxy-2,3-difluoro-4-(trans-4-propylcyclohexyl)benzene208709-55-180 % similar 4-Ethoxy-2,3-difluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl189750-98-966 % similar 1-Ethoxy-4-(trans-4-propylcyclohexyl)benzene80944-44-150 % similar 1-Hydroxy-4-ethoxy-2,3-difluorobenzene126163-56-247 % similar 1,2,3-Trifluoro-5-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene131819-24-444 % similar 4-Ethoxy-2,3-difluorobenzonitrile126162-96-743 % similar B-(4-Ethoxy-2,3-difluorophenyl)boronic acid212386-71-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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